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CHEBI:197123 - Pueraria glycoside 2

ChEBI IDCHEBI:197123
ChEBI NamePueraria glycoside 2
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC26H28O13
Net Charge0
Average Mass548.497
Monoisotopic Mass548.15299
SMILES[H][C@@]1(c2c(O)ccc3c(=O)c(-c4ccc(O)cc4)coc23)O[C@@H](CO[C@@H]2OC[C@@H](O)[C@H](O)C2O)[C@@H](O)C(O)C1O
InChIInChI=1S/C26H28O13/c27-11-3-1-10(2-4-11)13-7-36-24-12(18(13)30)5-6-14(28)17(24)25-22(34)21(33)20(32)16(39-25)9-38-26-23(35)19(31)15(29)8-37-26/h1-7,15-16,19-23,25-29,31-35H,8-9H2/t15-,16+,19+,20-,21?,22?,23?,25+,26+/m1/s1
InChIKeyYCFQXQCEEPCZMO-RKVNDIMQSA-N
Species of MetaboliteComponentSourceComments
Cannabis sativa (ncbitaxon:3483) inflorescence (BTO:0000628) MetaboLights (MTBLS6032) Strain: Cannabis sativa var. DMG265
ChEBI Ontology
Outgoing Relation(s)
Pueraria glycoside 2 (CHEBI:197123) is a C-glycosyl compound (CHEBI:20857)
Pueraria glycoside 2 (CHEBI:197123) is a isoflavonoid (CHEBI:50753)
IUPAC Name 
7-hydroxy-3-(4-hydroxyphenyl)-8-[(2S,5S,6S)-3,4,5-trihydroxy-6-[[(2S,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxymethyl]oxan-2-yl]chromen-4-one
Manual XrefsDatabases
LMPK12050009LIPID MAPS
24842682ChemSpider